3-[5-(4-fluorophenyl)sulfanylpyrazolo[3,4-b]pyridin-1-yl]-N,N-dimethylpropan-1-amine

C17H19FN4S — CID 71133777

IUPAC3-[5-(4-fluorophenyl)sulfanylpyrazolo[3,4-b]pyridin-1-yl]-N,N-dimethylpropan-1-amine
SMILESCN(C)CCCn1ncc2cc(Sc3ccc(F)cc3)cnc21
InChIInChI=1S/C17H19FN4S/c1-21(2)8-3-9-22-17-13(11-20-22)10-16(12-19-17)23-15-6-4-14(18)5-7-15/h4-7,10-12H,3,8-9H2,1-2H3
InChIKeyOJJRYXRQVSAYFN-UHFFFAOYSA-N
MW330.43 g/mol
LogP3.67
Rot. Bonds6

About 3-[5-(4-fluorophenyl)sulfanylpyrazolo[3,4-b]pyridin-1-yl]-N,N-dimethylpropan-1-amine

3-[5-(4-fluorophenyl)sulfanylpyrazolo[3,4-b]pyridin-1-yl]-N,N-dimethylpropan-1-amine (PubChem CID 71133777) has the molecular formula C17H19FN4S and a molecular weight of 330.43 g/mol. Its IUPAC name is 3-[5-(4-fluorophenyl)sulfanylpyrazolo[3,4-b]pyridin-1-yl]-N,N-dimethylpropan-1-amine.

Molecular Properties

Compound Name3-[5-(4-fluorophenyl)sulfanylpyrazolo[3,4-b]pyridin-1-yl]-N,N-dimethylpropan-1-amine
PubChem CID71133777
Molecular FormulaC17H19FN4S
Molecular Weight330.43 g/mol
Exact Mass330.13
IUPAC Name3-[5-(4-fluorophenyl)sulfanylpyrazolo[3,4-b]pyridin-1-yl]-N,N-dimethylpropan-1-amine
SMILESCN(C)CCCn1ncc2cc(Sc3ccc(F)cc3)cnc21
InChIInChI=1S/C17H19FN4S/c1-21(2)8-3-9-22-17-13(11-20-22)10-16(12-19-17)23-15-6-4-14(18)5-7-15/h4-7,10-12H,3,8-9H2,1-2H3
InChIKeyOJJRYXRQVSAYFN-UHFFFAOYSA-N
XLogP3.67
TPSA33.95 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.43
LogP ≤ 53.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[5-(4-fluorophenyl)sulfanylpyrazolo[3,4-b]pyridin-1-yl]-N,N-dimethylpropan-1-amine?
The IUPAC name of 3-[5-(4-fluorophenyl)sulfanylpyrazolo[3,4-b]pyridin-1-yl]-N,N-dimethylpropan-1-amine (CID 71133777) is 3-[5-(4-fluorophenyl)sulfanylpyrazolo[3,4-b]pyridin-1-yl]-N,N-dimethylpropan-1-amine.
What is the SMILES notation for 3-[5-(4-fluorophenyl)sulfanylpyrazolo[3,4-b]pyridin-1-yl]-N,N-dimethylpropan-1-amine?
The canonical SMILES for 3-[5-(4-fluorophenyl)sulfanylpyrazolo[3,4-b]pyridin-1-yl]-N,N-dimethylpropan-1-amine is CN(C)CCCn1ncc2cc(Sc3ccc(F)cc3)cnc21.
What is the InChIKey of 3-[5-(4-fluorophenyl)sulfanylpyrazolo[3,4-b]pyridin-1-yl]-N,N-dimethylpropan-1-amine?
The InChIKey is OJJRYXRQVSAYFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19FN4S/c1-21(2)8-3-9-22-17-13(11-20-22)10-16(12-19-17)23-15-6-4-14(18)5-7-15/h4-7,10-12H,3,8-9H2,1-2H3.
What are the key properties of 3-[5-(4-fluorophenyl)sulfanylpyrazolo[3,4-b]pyridin-1-yl]-N,N-dimethylpropan-1-amine?
3-[5-(4-fluorophenyl)sulfanylpyrazolo[3,4-b]pyridin-1-yl]-N,N-dimethylpropan-1-amine has a molecular weight of 330.43 g/mol, XLogP of 3.67, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-(4-fluorophenyl)sulfanylpyrazolo[3,4-b]pyridin-1-yl]-N,N-dimethylpropan-1-amine is sourced from PubChem (CID 71133777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).